Quantum Chemistry Laboratory
Prof. N. Rösch

Software Requirements and Installation

If you want to use the QCL web interface to Gaussian on your own PC you need to install several software tools. You will need an internet browser. We recommend either or Do not use Netscape 3 or Internet Explorer 3 or earlier versions. Furthermore, you need to install a software for viewing molecular structures. Do not use WebLab Viewer 2 or earlier versions. Install the WebLab Viewer before the internet browser. Please follow the installation guides of these software packages.

When you want to display a molecule and you receive a coordinate file for the first time, you have to specify the location of the executable of your WebLab Viewer. If you are using a PC that has already been prepared for QCL, please contact your course instructor, NOT the QCL administration.

In case you use Netscape Navigator it is also possible to complete the applications list by hand:

For <pathname> you have to substitute the name of the path where the executable of your WebLab Viewer is located on your PC. If the file extension xyz is already in use you have to first delete the corresponding MIME type in the applications list.

The QCL interface to Gaussian has been tested using Windows NT 4.0 on a Pentium PC with 64 MB RAM. QCL should also run on other systems provided that Netscape Navigator (Communicator) or Microsoft Internet Explorer as well as MSI WebLab Viewer 3.1 are working properly.

Please notify your course instructor or the QCL administrator in case you run into trouble with the software used in the course.

Contact the course supervisor

Copyright © 2003 N. Rösch, Technische Universität München